8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
TL;DR: 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide (CAS 21243-20-9) is a chemical compound with molecular formula C9H7FO3S and molecular weight 214.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one
Also Known As: 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide, 8-fluoro-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione, 8-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one, 8-Fluoro-2,3-dihydro-1-benzothiopyran-1,1,4-trione, 8-fluoro-3,4-dihydro-2H-1??-benzothiopyran-1,1,4-trione
| Molecular Formula | C9H7FO3S |
|---|---|
| Molecular Weight | 214.01 g/mol |
| LogP | 1.1858 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.01 |
| Heavy Atoms | 14 |
| Complexity | 504.7884 |
Chemical Identifiers
| CAS Number | 21243-20-9 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=C(C1=O)C=CC=C2F |
Product Overview
8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide (CAS 21243-20-9), with molecular formula C9H7FO3S and molecular weight 214.01 g/mol. IUPAC: 8-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one.
Chemical Property Profile of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
Property Insights of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
The XLogP value of 1.1858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide. With a topological polar surface area (TPSA) of 51.21 Ų, 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
The CAS number of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide is 21243-20-9.
What is the molecular formula of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
The molecular formula of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide is C9H7FO3S.
What is the molecular weight of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
The molecular weight of 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide is 214.01 g/mol.
Where can I buy 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
You can request a quote for 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 8-fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.